acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide

C24H36N2 — CID 143287982

IUPACacetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide
SMILESC#C.C/N=C/N(C)C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C
InChIInChI=1S/C22H34N2.C2H2/c1-21-13-6-5-7-16(21)8-9-17-18-10-11-20(24(4)15-23-3)22(18,2)14-12-19(17)21;1-2/h8,11,15,17-19H,5-7,9-10,12-14H2,1-4H3;1-2H/b23-15+;
InChIKeyQZNQNFKCDHFMGG-BUGNPGDCSA-N
MW352.57 g/mol
LogP5.67
Rot. Bonds2

About acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide

acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide (PubChem CID 143287982) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound Nameacetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide
PubChem CID143287982
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Nameacetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide
SMILESC#C.C/N=C/N(C)C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C
InChIInChI=1S/C22H34N2.C2H2/c1-21-13-6-5-7-16(21)8-9-17-18-10-11-20(24(4)15-23-3)22(18,2)14-12-19(17)21;1-2/h8,11,15,17-19H,5-7,9-10,12-14H2,1-4H3;1-2H/b23-15+;
InChIKeyQZNQNFKCDHFMGG-BUGNPGDCSA-N
XLogP5.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide?
The IUPAC name of acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide (CID 143287982) is acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide.
What is the SMILES notation for acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide?
The canonical SMILES for acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide is C#C.C/N=C/N(C)C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C.
What is the InChIKey of acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide?
The InChIKey is QZNQNFKCDHFMGG-BUGNPGDCSA-N. The full InChI is InChI=1S/C22H34N2.C2H2/c1-21-13-6-5-7-16(21)8-9-17-18-10-11-20(24(4)15-23-3)22(18,2)14-12-19(17)21;1-2/h8,11,15,17-19H,5-7,9-10,12-14H2,1-4H3;1-2H/b23-15+;.
What are the key properties of acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide?
acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide has a molecular weight of 352.57 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 143287982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).